SCHEMBL11763525

SCHEMBL11763525

CC(=O)OC(C)CC(C)(C)S

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
GALR3 O60755 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14087829 0.82 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14087828 0.82 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15745543 0.81 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2721450 0.80 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19225324 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL15424302 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL17710616 0.78 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL16254842 0.77 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL11423320 0.77 TSHR (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL3338092 0.75 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021080162-A1 SOLVENT-FREE CURABLE COMPOSITION, CURED FILM PRODUCED USING COMPOSITION, AND COLOUR FILTER AND DISPLAY DEVICE COMRISING CURED FILM 삼성에스디아이 주식회사 2021-04-29 WO disclosed
US-4053656-A MERCAPTO ALCOHOLS AND MERCAPTOALKYL ESTERS POLAK'S FRUTAL WORKS B.V. (NL) 1977-10-11 US disclosed